[1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid

C18H27N5O4 — CID 137002493

IUPAC[1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid
SMILESCC(C)(C)C(c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N(CCO)C(=O)O
InChIInChI=1S/C18H27N5O4/c1-18(2,3)13(22(8-9-24)17(26)27)14-20-15-12(16(25)21-14)10-19-23(15)11-6-4-5-7-11/h10-11,13,24H,4-9H2,1-3H3,(H,26,27)(H,20,21,25)
InChIKeyXXJZSYYEFGVPBM-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.29
Rot. Bonds5

About [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid

[1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid (PubChem CID 137002493) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid.

Molecular Properties

Compound Name[1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid
PubChem CID137002493
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name[1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid
SMILESCC(C)(C)C(c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N(CCO)C(=O)O
InChIInChI=1S/C18H27N5O4/c1-18(2,3)13(22(8-9-24)17(26)27)14-20-15-12(16(25)21-14)10-19-23(15)11-6-4-5-7-11/h10-11,13,24H,4-9H2,1-3H3,(H,26,27)(H,20,21,25)
InChIKeyXXJZSYYEFGVPBM-UHFFFAOYSA-N
XLogP2.29
TPSA124.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-6-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136627768
1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137002480
6-[[(2R)-1-(4-chloropiperidin-1-yl)-1-oxopropan-2-yl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166625891
1-cyclopentyl-6-[1-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136613089
6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 115571620
1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160971321
1-cyclopentyl-6-[[(2R)-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155539455
1-cyclopentyl-6-[(1R)-1-(3-pyridin-3-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873816
1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166630874
1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166630559
ethyl 2-[[1-(4,4-difluorocyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]propanoate
CID 146659529
3-(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[4-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 135867306

Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid?
The IUPAC name of [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid (CID 137002493) is [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid.
What is the SMILES notation for [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid?
The canonical SMILES for [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid is CC(C)(C)C(c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N(CCO)C(=O)O.
What is the InChIKey of [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid?
The InChIKey is XXJZSYYEFGVPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-18(2,3)13(22(8-9-24)17(26)27)14-20-15-12(16(25)21-14)10-19-23(15)11-6-4-5-7-11/h10-11,13,24H,4-9H2,1-3H3,(H,26,27)(H,20,21,25).
What are the key properties of [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid?
[1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid has a molecular weight of 377.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid is sourced from PubChem (CID 137002493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).